(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C24H25FN6O4S — CID 10414057

IUPAC(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4nc5c(cc4F)SCC(=O)N5)[C@H](O)C3)c2n1
InChIInChI=1S/C24H25FN6O4S/c1-35-21-5-4-15-22(31-21)16(6-7-26-15)29-24(34)12-2-3-14(18(32)8-12)27-10-17-13(25)9-19-23(28-17)30-20(33)11-36-19/h4-7,9,12,14,18,27,32H,2-3,8,10-11H2,1H3,(H,26,29,34)(H,28,30,33)/t12-,14-,18-/m1/s1
InChIKeyCYHZYFWBZFKFHI-RVZJWNSFSA-N
MW512.57 g/mol
LogP2.47
Rot. Bonds6

About (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 10414057) has the molecular formula C24H25FN6O4S and a molecular weight of 512.57 g/mol. Its IUPAC name is (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID10414057
Molecular FormulaC24H25FN6O4S
Molecular Weight512.57 g/mol
Exact Mass512.16
IUPAC Name(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4nc5c(cc4F)SCC(=O)N5)[C@H](O)C3)c2n1
InChIInChI=1S/C24H25FN6O4S/c1-35-21-5-4-15-22(31-21)16(6-7-26-15)29-24(34)12-2-3-14(18(32)8-12)27-10-17-13(25)9-19-23(28-17)30-20(33)11-36-19/h4-7,9,12,14,18,27,32H,2-3,8,10-11H2,1H3,(H,26,29,34)(H,28,30,33)/t12-,14-,18-/m1/s1
InChIKeyCYHZYFWBZFKFHI-RVZJWNSFSA-N
XLogP2.47
TPSA138.36 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 10414057) is (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4nc5c(cc4F)SCC(=O)N5)[C@H](O)C3)c2n1.
What is the InChIKey of (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is CYHZYFWBZFKFHI-RVZJWNSFSA-N. The full InChI is InChI=1S/C24H25FN6O4S/c1-35-21-5-4-15-22(31-21)16(6-7-26-15)29-24(34)12-2-3-14(18(32)8-12)27-10-17-13(25)9-19-23(28-17)30-20(33)11-36-19/h4-7,9,12,14,18,27,32H,2-3,8,10-11H2,1H3,(H,26,29,34)(H,28,30,33)/t12-,14-,18-/m1/s1.
What are the key properties of (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 10414057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).